Geometry & MOs

Info

ID:	402763
PubChem CID:	135057168
Reduced:	SN2O3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	247.087829
ΔH_f, kcal/mol:	-20.02
Dipole, Da:	5.59
IP(EA), eV:	-9.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-acetamido-3-(4-hydroxybut-2-enylsulfanyl)propanoate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)S(=O)(=O)/N=C/C2=CC=CO2

DOS

IR

Vibrations